CID 91650

Pyrimethanil

Structural Information

Molecular Formula
C12H13N3
SMILES
CC1=CC(=NC(=N1)NC2=CC=CC=C2)C
InChI
InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)
InChIKey
ZLIBICFPKPWGIZ-UHFFFAOYSA-N
Compound name
4,6-dimethyl-N-phenylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

205
References

55110
Patents

199.11095 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11823 143.9
[M+Na]+ 222.10017 152.5
[M-H]- 198.10367 148.3
[M+NH4]+ 217.14477 160.3
[M+K]+ 238.07411 148.5
[M+H-H2O]+ 182.10821 135.2
[M+HCOO]- 244.10915 167.3
[M+CH3COO]- 258.12480 156.7
[M+Na-2H]- 220.08562 152.2
[M]+ 199.11040 143.3
[M]- 199.11150 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe